ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005079
RECORD_TITLE: 1,3-DI(2-METHOXYPHENYL)BENZO(F)QUINAZOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 1,3-DI(2-METHOXYPHENYL)BENZO(F)QUINAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₆H₂₀N₂O₂
CH$EXACT_MASS: 392.15248
CH$SMILES: c(c12)cccc(ccc(n4)c2c(nc(c(c(OC)5)cccc5)4)c(c(OC)3)cccc3)1
CH$IUPAC: InChI=1S/C26H20N2O2/c1-29-22-13-7-5-11-19(22)25-24-18-10-4-3-9-17(18)15-16-21(24)27-26(28-25)20-12-6-8-14-23(20)30-2/h3-16H,1-2H3
CH$LINK: INCHIKEY ZGFNWRPKMZWLGN-UHFFFAOYSA-N

AC$INSTRUMENT: MS-902
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9626000000-af67cc2881bf0b1fa4f3
PK$NUM_PEAK: 132
PK$PEAK: m/z int. rel.int.
  50 4.9 49
  51 15.1 151
  52 7.2 72
  53 0.29 3
  56 1.6 16
  57 2.6 26
  62 1.9 19
  63 0.55 6
  64 1.6 16
  65 8.3 83
  71 1.3 13
  74 0.22 2
  75 1.9 19
  76 3.9 39
  77 22.6 226
  78 0.88 9
  79 10.1 101
  89 2.3 23
  90 1.2 12
  91 99.99 999
  92 8.3 83
  93 1 10
  101 1.2 12
  102 0.19 2
  103 8.4 84
  104 14.5 145
  105 24.8 248
  106 5.83 58
  107 6.3 63
  120 12.5 125
  121 1.2 12
  125 0.14 1
  126 9.1 91
  127 3.4 34
  128 1.1 11
  139 0.12 1
  140 1.4 14
  145.5 1 10
  146 1.5 15
  146.5 0.12 1
  150 1.4 14
  151 1.6 16
  151.5 1.8 18
  152 0.48 5
  152.5 1.3 13
  153 2.4 24
  158 3.5 35
  158.5 0.34 3
  159 3.2 32
  159.5 2.5 25
  160 1.6 16
  164 0.16 2
  164.5 1.7 17
  165 4.7 47
  165.5 2.6 26
  166 0.29 3
  166.5 1.3 13
  167 1.8 18
  173.5 2 20
  174 0.36 4
  174.5 1.3 13
  180 2.2 22
  180.5 1.1 11
  181 0.14 1
  188 2.7 27
  188.5 2.3 23
  189 2.6 26
  196 0.4 4
  196.5 1.1 11
  201 1 10
  202 1.4 14
  215 0.2 2
  216 1.7 17
  223 1 10
  226 2 20
  227 0.72 7
  228 1.4 14
  229 1 10
  230 12.4 124
  231 0.36 4
  240 1.1 11
  241 1.1 11
  242 1.2 12
  243 0.13 1
  244 2.2 22
  245 1.1 11
  246 1.1 11
  253 0.53 5
  254 1.4 14
  255 2.1 21
  256 2.8 28
  257 0.77 8
  258 6.6 66
  259 3.3 33
  260 2.7 27
  269 0.12 1
  272 1 10
  273 1.3 13
  284 1.1 11
  285 0.78 8
  286 2 20
  287 3.1 31
  292 1.2 12
  317 0.12 1
  318 2.1 21
  319 1.6 16
  331 6.7 67
  332 0.23 2
  333 1.9 19
  345 1.7 17
  346 2.7 27
  347 0.79 8
  348 2.7 27
  349 3.6 36
  350 1.1 11
  359 0.19 2
  360 1.1 11
  361 6 60
  362 2.2 22
  363 0.59 6
  364 2 20
  373 3.3 33
  374 2 20
  375 0.41 4
  376 1.4 14
  377 18 180
  378 14.4 144
  379 0.31 3
  391 14.4 144
  392 46 460
  393 13.6 136
  394 2.3 23
//